==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JAN-09 3FRC . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.PERBANDT,E.LIEBAU,G.RICCI . 406 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 1 0 0 3 6 0 0 1 1 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A I 0 0 72 0, 0.0 26,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.0 22.2 -34.3 -14.8 2 6 A V E -aB 27 59A 34 57,-2.1 57,-3.1 24,-0.2 2,-0.5 -0.982 360.0-160.0-124.8 123.8 20.6 -35.1 -18.2 3 7 A L E -aB 28 58A 0 24,-2.9 26,-2.1 -2,-0.4 2,-0.5 -0.904 9.3-161.9-101.2 125.3 18.9 -32.6 -20.4 4 8 A Y E +aB 29 57A 31 53,-3.0 53,-1.7 -2,-0.5 2,-0.3 -0.932 30.8 122.2-109.3 128.0 16.5 -34.0 -23.1 5 9 A Y E -a 30 0A 1 24,-1.8 26,-2.0 -2,-0.5 2,-0.1 -0.938 60.2 -76.3-161.1 177.5 15.4 -31.9 -26.1 6 10 A F E -a 31 0A 43 -2,-0.3 2,-2.2 24,-0.2 26,-0.1 -0.305 59.0 -89.3 -73.0 166.9 15.4 -32.0 -29.8 7 11 A D S S+ 0 0 97 24,-0.9 2,-0.3 23,-0.1 -1,-0.1 -0.530 100.6 84.8 -77.6 73.4 18.5 -31.2 -31.8 8 12 A A S S- 0 0 46 -2,-2.2 4,-0.2 1,-0.2 -2,-0.0 -0.966 83.5-116.4-164.7 161.7 17.6 -27.5 -31.8 9 13 A R S >> S+ 0 0 51 -2,-0.3 3,-1.9 3,-0.1 4,-1.3 0.988 73.0 115.9 -68.8 -71.0 18.0 -24.3 -29.7 10 14 A G T 34 S- 0 0 16 1,-0.2 3,-0.4 2,-0.2 4,-0.3 -0.017 91.3 -13.6 44.1-128.8 14.2 -23.8 -29.2 11 15 A K T 34 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.402 136.3 55.3 -88.6 1.4 13.0 -24.0 -25.6 12 16 A A T <> S+ 0 0 0 -3,-1.9 4,-2.0 -4,-0.2 3,-0.2 0.611 80.3 85.6-105.2 -17.2 16.2 -25.7 -24.3 13 17 A E H X S+ 0 0 2 -4,-1.3 4,-2.4 -3,-0.4 5,-0.2 0.847 87.6 52.1 -63.7 -38.6 18.9 -23.2 -25.3 14 18 A L H > S+ 0 0 18 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.907 109.2 51.0 -62.5 -40.7 18.6 -20.9 -22.3 15 19 A I H > S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.937 111.3 48.5 -59.9 -45.1 19.0 -23.9 -19.9 16 20 A R H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.868 111.3 50.2 -60.5 -41.0 22.1 -24.9 -21.9 17 21 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.868 110.0 50.0 -64.5 -40.9 23.5 -21.3 -21.7 18 22 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 111.0 48.6 -64.4 -45.6 22.9 -21.2 -17.9 19 23 A F H X>S+ 0 0 1 -4,-2.5 5,-1.9 2,-0.2 4,-0.9 0.898 112.9 49.0 -60.5 -42.1 24.7 -24.6 -17.5 20 24 A A H ><5S+ 0 0 18 -4,-2.2 3,-0.7 2,-0.2 -2,-0.2 0.932 111.6 48.7 -60.6 -50.3 27.5 -23.2 -19.6 21 25 A Y H 3<5S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.894 114.8 44.7 -55.0 -44.4 27.7 -20.0 -17.6 22 26 A L H 3<5S- 0 0 43 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.552 106.5-125.7 -83.3 -8.7 27.7 -21.9 -14.3 23 27 A G T <<5 + 0 0 43 -4,-0.9 2,-0.4 -3,-0.7 -3,-0.2 0.762 53.2 158.7 70.8 26.5 30.3 -24.5 -15.4 24 28 A I < - 0 0 26 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.2 -0.694 37.8-132.1 -86.3 130.9 27.9 -27.3 -14.5 25 29 A E + 0 0 170 -2,-0.4 2,-0.3 2,-0.0 -1,-0.0 -0.678 40.3 149.3 -84.1 134.3 28.6 -30.6 -16.2 26 30 A Y - 0 0 46 -2,-0.4 2,-0.6 -23,-0.0 -24,-0.2 -0.962 49.3-102.5-154.3 163.6 25.6 -32.4 -17.7 27 31 A T E -a 2 0A 87 -26,-2.9 -24,-2.9 -2,-0.3 2,-1.2 -0.882 27.4-151.7 -95.4 122.5 24.7 -34.7 -20.6 28 32 A D E -a 3 0A 48 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.1 -0.714 17.6-167.5 -95.4 84.0 23.0 -32.8 -23.4 29 33 A K E -a 4 0A 73 -26,-2.1 -24,-1.8 -2,-1.2 2,-0.4 -0.626 4.6-172.1 -84.3 123.9 20.8 -35.5 -24.9 30 34 A R E > -a 5 0A 51 -2,-0.5 3,-0.8 -26,-0.2 4,-0.3 -0.950 18.5-130.4-120.8 130.9 19.3 -34.6 -28.3 31 35 A F E 3 S+a 6 0A 9 -26,-2.0 -24,-0.9 -2,-0.4 6,-0.2 -0.498 87.3 24.0 -73.6 145.4 16.7 -36.5 -30.3 32 36 A G T 3 S+ 0 0 29 4,-0.2 5,-0.2 -2,-0.2 -1,-0.2 0.603 85.4 107.9 80.5 14.2 17.4 -37.2 -33.9 33 37 A V S < S+ 0 0 81 -3,-0.8 -2,-0.1 3,-0.1 -1,-0.0 0.903 97.2 17.8 -83.2 -46.9 21.1 -37.1 -33.9 34 38 A N S S- 0 0 130 -4,-0.3 2,-0.2 2,-0.1 -3,-0.1 0.601 137.2 -10.3 -99.2 -17.1 21.7 -40.9 -34.2 35 39 A G S S- 0 0 39 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.639 103.0 -23.1-153.4-151.4 18.2 -41.8 -35.5 36 40 A D > - 0 0 96 -2,-0.2 4,-2.9 1,-0.2 -4,-0.2 -0.688 43.6-158.7 -82.7 114.5 14.6 -40.7 -36.2 37 41 A A H > S+ 0 0 31 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.886 92.6 52.5 -58.8 -43.4 13.7 -37.8 -34.0 38 42 A F H > S+ 0 0 163 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.884 114.9 42.5 -62.5 -38.5 9.9 -38.4 -34.3 39 43 A V H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 112.7 51.3 -74.4 -45.3 10.5 -42.0 -33.2 40 44 A E H X S+ 0 0 42 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.867 109.0 51.8 -61.3 -39.8 12.9 -41.3 -30.4 41 45 A F H X S+ 0 0 23 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.824 107.3 54.0 -65.3 -33.3 10.6 -38.7 -28.9 42 46 A K H X S+ 0 0 114 -4,-1.0 4,-1.3 -5,-0.2 -2,-0.2 0.931 112.6 42.3 -65.5 -46.1 7.8 -41.4 -29.0 43 47 A N H X S+ 0 0 82 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.834 109.6 58.9 -68.2 -36.6 9.9 -43.9 -27.0 44 48 A F H X S+ 0 0 8 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.919 105.3 49.4 -55.4 -47.3 11.2 -41.1 -24.7 45 49 A K H < S+ 0 0 68 -4,-1.7 5,-0.3 1,-0.2 -1,-0.2 0.846 112.1 47.2 -65.2 -38.2 7.6 -40.4 -23.6 46 50 A K H < S+ 0 0 167 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.870 118.4 42.2 -67.5 -39.0 6.8 -44.1 -23.0 47 51 A E H < S+ 0 0 130 -4,-2.2 2,-0.4 -5,-0.1 -2,-0.2 0.870 112.9 53.5 -78.9 -40.0 10.0 -44.5 -21.0 48 52 A K S < S- 0 0 55 -4,-3.1 2,-1.3 -5,-0.2 -1,-0.0 -0.791 79.2-128.4-103.3 140.4 10.0 -41.3 -19.0 49 53 A D + 0 0 77 -2,-0.4 -3,-0.1 4,-0.0 15,-0.1 -0.715 38.5 175.5 -85.8 91.1 7.2 -40.0 -16.8 50 54 A T - 0 0 9 -2,-1.3 5,-0.1 -5,-0.3 7,-0.0 -0.766 30.9-139.1 -96.2 145.4 6.8 -36.5 -18.1 51 55 A P S S+ 0 0 19 0, 0.0 287,-0.1 0, 0.0 286,-0.1 0.862 97.9 14.7 -72.7 -33.6 3.9 -34.3 -16.8 52 56 A F S S- 0 0 3 2,-0.2 3,-0.1 358,-0.1 282,-0.1 0.176 100.0-111.6-128.5 14.5 2.9 -32.7 -20.1 53 57 A E S S+ 0 0 79 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.801 80.6 121.2 54.0 33.0 4.6 -34.9 -22.8 54 58 A Q - 0 0 27 2,-0.1 -1,-0.2 -9,-0.0 -2,-0.2 -0.845 53.4-110.3-119.3 155.2 6.8 -31.9 -23.6 55 59 A V S S+ 0 0 0 -2,-0.3 2,-0.2 -3,-0.1 -50,-0.1 -0.869 77.4 79.9-114.5 159.1 10.5 -31.3 -23.7 56 60 A P + 0 0 1 0, 0.0 11,-0.6 0, 0.0 2,-0.4 0.353 61.0 175.5 -67.4 145.8 12.8 -29.9 -22.4 57 61 A I E -BC 4 66A 0 -53,-1.7 -53,-3.0 -2,-0.2 2,-0.5 -0.997 16.3-159.8-120.1 129.3 13.1 -32.4 -19.5 58 62 A L E -BC 3 65A 0 7,-2.8 7,-2.9 -2,-0.4 2,-0.6 -0.967 9.4-162.4-106.2 122.5 15.8 -32.0 -17.0 59 63 A Q E -BC 2 64A 30 -57,-3.1 -57,-2.1 -2,-0.5 2,-0.7 -0.920 10.3-175.1-112.3 111.6 16.5 -35.3 -15.1 60 64 A I E > S- C 0 63A 60 3,-2.0 3,-2.7 -2,-0.6 2,-0.5 -0.905 70.7 -54.1-103.6 106.3 18.4 -35.1 -11.9 61 65 A G T 3 S- 0 0 60 -2,-0.7 -59,-0.1 1,-0.3 -2,-0.0 -0.527 123.5 -22.9 63.0-113.7 19.0 -38.7 -10.8 62 66 A D T 3 S+ 0 0 155 -2,-0.5 2,-0.3 2,-0.0 -1,-0.3 0.482 114.4 111.5 -98.9 -9.6 15.4 -40.0 -10.8 63 67 A L E < -C 60 0A 42 -3,-2.7 -3,-2.0 1,-0.0 2,-0.6 -0.532 56.1-153.1 -72.3 125.7 13.9 -36.5 -10.4 64 68 A I E -C 59 0A 32 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.901 11.2-172.0-103.7 118.2 12.0 -35.3 -13.6 65 69 A L E +C 58 0A 0 -7,-2.9 -7,-2.8 -2,-0.6 2,-0.2 -0.944 7.7 178.7-111.0 127.5 11.8 -31.5 -14.1 66 70 A A E +C 57 0A 4 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.758 40.2 59.5-120.8 171.1 9.7 -30.1 -16.8 67 71 A Q > - 0 0 1 -11,-0.6 4,-2.3 343,-0.5 3,-0.4 0.884 65.7-131.2 73.3 105.7 8.8 -26.6 -18.1 68 72 A S H > S+ 0 0 12 342,-1.7 4,-2.5 1,-0.2 5,-0.1 0.814 103.7 48.9 -56.0 -42.0 11.7 -24.5 -19.3 69 73 A Q H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 112.1 49.5 -67.7 -38.6 10.9 -21.3 -17.4 70 74 A A H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.907 111.7 48.7 -63.6 -44.3 10.4 -23.2 -14.2 71 75 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.923 111.2 51.1 -59.7 -47.4 13.7 -25.0 -14.6 72 76 A V H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 112.4 44.7 -57.1 -49.0 15.4 -21.6 -15.3 73 77 A R H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.917 113.9 51.2 -63.1 -41.8 14.0 -20.0 -12.2 74 78 A Y H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.927 112.9 44.1 -60.4 -48.3 14.9 -23.1 -10.1 75 79 A L H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.861 109.5 57.3 -64.9 -37.6 18.5 -23.2 -11.4 76 80 A S H <>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.2 6,-0.8 0.865 111.2 42.0 -63.1 -39.3 18.8 -19.4 -10.9 77 81 A K H ><5S+ 0 0 51 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.905 113.2 53.4 -71.5 -45.0 17.9 -19.8 -7.2 78 82 A K H 3<5S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.831 121.0 31.3 -57.7 -37.3 20.1 -22.9 -6.7 79 83 A Y T 3<5S- 0 0 105 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.093 111.3-113.9-115.4 21.6 23.1 -21.1 -8.2 80 84 A N T < 5S+ 0 0 125 -3,-1.0 -3,-0.2 1,-0.1 -4,-0.1 0.825 79.2 122.5 49.5 45.3 22.4 -17.5 -7.0 81 85 A I < + 0 0 7 -5,-2.6 72,-2.2 -6,-0.2 73,-0.3 -0.090 52.4 100.8-113.1 26.8 21.9 -15.8 -10.4 82 86 A C S S- 0 0 20 -6,-0.8 7,-0.1 1,-0.2 -9,-0.0 -0.283 92.6 -58.5 -86.3-176.5 18.4 -14.8 -9.1 83 87 A G - 0 0 11 -2,-0.1 -1,-0.2 1,-0.1 6,-0.1 -0.325 40.1-129.1 -64.9 154.7 17.8 -11.3 -7.8 84 88 A E S S+ 0 0 110 66,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.285 91.2 21.9 -88.3 6.9 19.9 -10.0 -4.9 85 89 A S S > S- 0 0 57 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.957 91.9 -95.0-159.7 167.0 16.6 -8.9 -3.1 86 90 A E H > S+ 0 0 101 -2,-0.3 4,-1.4 1,-0.2 -3,-0.1 0.920 126.8 40.3 -51.7 -49.9 12.9 -9.7 -3.1 87 91 A L H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.848 112.1 55.6 -72.8 -36.8 12.2 -6.8 -5.5 88 92 A N H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.895 106.5 51.4 -61.0 -40.8 15.2 -7.5 -7.6 89 93 A E H X S+ 0 0 33 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.874 108.0 53.4 -63.4 -37.0 14.0 -11.1 -8.1 90 94 A F H X S+ 0 0 4 -4,-1.4 4,-3.0 -5,-0.2 -2,-0.2 0.941 109.5 47.7 -58.5 -48.3 10.7 -9.6 -9.2 91 95 A Y H X S+ 0 0 67 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.893 110.9 49.5 -64.7 -41.4 12.4 -7.4 -11.8 92 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.911 113.8 48.3 -59.5 -42.5 14.5 -10.2 -13.2 93 97 A D H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.922 110.2 50.8 -62.1 -48.9 11.2 -12.3 -13.4 94 98 A M H X S+ 0 0 8 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.896 111.7 47.3 -57.3 -44.6 9.3 -9.4 -15.1 95 99 A I H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.889 110.3 52.0 -66.9 -40.5 12.1 -9.0 -17.7 96 100 A F H X S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.902 109.5 50.7 -60.4 -41.3 12.2 -12.8 -18.3 97 101 A C H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.885 108.9 51.4 -63.7 -39.4 8.4 -12.6 -18.8 98 102 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 5,-0.3 0.913 106.8 53.6 -60.1 -47.2 9.0 -9.7 -21.3 99 103 A V H X S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.912 105.1 55.3 -51.7 -46.5 11.5 -11.9 -23.1 100 104 A Q H X S+ 0 0 34 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 105.1 53.2 -54.6 -44.3 8.9 -14.6 -23.4 101 105 A D H X S+ 0 0 25 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.935 117.5 34.3 -58.5 -51.0 6.4 -12.2 -25.1 102 106 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.873 115.4 56.4 -76.4 -36.5 8.8 -11.1 -27.9 103 107 A H H X S+ 0 0 22 -4,-3.1 4,-2.9 -5,-0.3 -2,-0.2 0.910 104.3 54.9 -59.4 -43.0 10.5 -14.5 -28.2 104 108 A Y H X S+ 0 0 111 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.915 107.4 49.8 -52.1 -47.8 7.1 -16.1 -28.9 105 109 A K H X S+ 0 0 68 -4,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.889 111.3 48.6 -61.3 -43.4 6.6 -13.6 -31.7 106 110 A F H X S+ 0 0 0 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.930 109.3 52.7 -60.2 -47.6 10.0 -14.5 -33.1 107 111 A N H X>S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 5,-1.8 0.872 105.5 54.4 -58.1 -41.4 9.3 -18.2 -32.9 108 112 A N H <5S+ 0 0 35 -4,-2.2 6,-1.8 3,-0.2 -1,-0.2 0.881 118.9 34.9 -57.4 -40.7 6.0 -17.8 -34.8 109 113 A T H X5S+ 0 0 5 -4,-1.4 4,-0.6 -3,-0.3 -2,-0.2 0.966 122.7 41.9 -76.4 -59.8 7.9 -16.1 -37.6 110 114 A N H <5S+ 0 0 50 -4,-3.5 -3,-0.2 2,-0.1 -2,-0.2 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0 0 109 1,-0.1 4,-0.5 3,-0.1 3,-0.4 0.162 34.8-139.3 -35.7 132.9 -11.6 -22.3 -34.7 320 120 B E H > S+ 0 0 78 1,-0.2 4,-3.0 -3,-0.2 5,-0.3 0.611 82.2 87.1 -73.8 -16.6 -12.5 -24.2 -31.5 321 121 B T H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.913 90.9 45.0 -53.4 -53.0 -12.5 -27.7 -32.9 322 122 B T H >>S+ 0 0 67 -3,-0.4 4,-2.2 1,-0.2 5,-1.9 0.915 116.2 47.1 -57.4 -47.6 -8.8 -28.4 -32.4 323 123 B F H <>S+ 0 0 1 -4,-0.5 5,-3.6 3,-0.2 -2,-0.2 0.950 117.5 41.5 -58.9 -51.2 -8.8 -26.9 -28.9 324 124 B L H <5S+ 0 0 43 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.824 125.5 32.0 -69.3 -36.3 -11.9 -28.8 -27.8 325 125 B N H <5S+ 0 0 120 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.724 135.1 16.8 -96.2 -26.3 -11.1 -32.2 -29.3 326 126 B E T X5S+ 0 0 126 -4,-2.2 4,-0.8 -5,-0.4 -3,-0.2 0.782 127.3 35.5-115.8 -51.5 -7.3 -32.3 -29.1 327 127 B D H > S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 115.4 48.4 -63.7 -40.0 -9.0 -33.3 -23.3 330 130 B K H X S+ 0 0 97 -4,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.905 115.0 43.1 -65.9 -46.4 -5.3 -34.1 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154 B V S > S- 0 0 4 3,-0.3 3,-0.8 -9,-0.0 -1,-0.2 -0.988 116.7 -43.0-130.3 127.3 1.5 -29.5 -4.6 352 155 B G T 3 S- 0 0 17 -2,-0.4 -3,-0.2 1,-0.2 4,-0.1 -0.104 91.3 -56.9 60.3-149.6 2.2 -30.7 -1.0 353 156 B N T 3 S+ 0 0 140 2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 0.104 113.6 68.3-116.9 19.6 -0.5 -30.6 1.7 354 157 B N S < S- 0 0 77 -3,-0.8 -3,-0.3 -7,-0.0 -66,-0.1 -0.960 91.1 -86.1-137.8 154.8 -1.3 -26.9 1.5 355 158 B L - 0 0 13 -2,-0.3 2,-0.3 -6,-0.1 -68,-0.3 -0.321 45.6-176.2 -56.5 131.0 -2.9 -24.4 -1.0 356 159 B T >> - 0 0 3 -70,-0.1 4,-1.1 -4,-0.1 3,-0.8 -0.833 43.7-105.7-121.1 168.4 -0.5 -23.0 -3.7 357 160 B Y H 3> S+ 0 0 5 -72,-2.5 4,-2.4 -2,-0.3 5,-0.1 0.714 118.3 69.8 -63.3 -19.7 -1.0 -20.5 -6.4 358 161 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.893 96.3 51.4 -62.1 -40.7 -0.9 -23.5 -8.7 359 162 B D H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.915 112.2 45.4 -58.3 -47.3 -4.4 -24.6 -7.3 360 163 B L H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.866 112.0 52.6 -65.9 -39.4 -5.8 -21.1 -8.0 361 164 B A H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.925 111.5 44.7 -62.2 -48.1 -4.2 -21.1 -11.5 362 165 B V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.916 114.0 51.0 -63.5 -44.3 -5.8 -24.4 -12.4 363 166 B F H X S+ 0 0 9 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.943 111.8 46.9 -53.7 -51.0 -9.1 -23.3 -10.9 364 167 B N H X S+ 0 0 10 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.868 108.2 56.7 -61.1 -39.8 -9.0 -20.1 -12.9 365 168 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.946 113.3 37.9 -56.3 -53.7 -8.1 -21.9 -16.1 366 169 B Y H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.811 112.6 57.3 -75.1 -30.1 -11.1 -24.1 -16.0 367 170 B D H X S+ 0 0 33 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.893 111.5 44.4 -60.1 -41.7 -13.4 -21.4 -14.7 368 171 B D H >X S+ 0 0 11 -4,-2.3 4,-0.7 2,-0.2 3,-0.7 0.938 115.2 46.7 -68.0 -48.2 -12.4 -19.4 -17.8 369 172 B I H >X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 3,-1.1 0.909 109.3 54.6 -61.1 -44.1 -12.8 -22.3 -20.2 370 173 B E H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.641 93.3 69.7 -70.6 -16.5 -16.2 -23.3 -18.7 371 174 B T H << S+ 0 0 85 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.854 118.0 23.8 -63.5 -35.1 -17.6 -19.8 -19.3 372 175 B K H << S+ 0 0 111 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.1 0.779 140.1 27.7 -97.6 -35.4 -17.4 -20.7 -23.0 373 176 B Y >< - 0 0 23 -4,-3.1 3,-0.8 -5,-0.1 -1,-0.2 -0.760 67.8-178.5-133.2 88.1 -17.6 -24.5 -22.7 374 177 B P T 3 S+ 0 0 97 0, 0.0 3,-0.4 0, 0.0 -4,-0.1 0.690 73.7 58.5 -61.2 -32.1 -19.5 -25.6 -19.5 375 178 B S T > + 0 0 73 1,-0.2 3,-0.8 2,-0.1 -5,-0.0 0.031 68.9 117.5 -93.0 29.6 -19.2 -29.5 -19.8 376 179 B S T < S+ 0 0 17 -3,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.692 72.4 45.7 -74.5 -20.3 -15.4 -29.6 -19.8 377 180 B L T > S+ 0 0 6 -3,-0.4 3,-1.8 1,-0.1 7,-0.3 0.340 73.2 109.4-108.8 6.8 -14.8 -31.5 -16.6 378 181 B K T < S+ 0 0 143 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.835 86.4 40.2 -50.5 -41.5 -17.4 -34.4 -16.9 379 182 B N T 3 S+ 0 0 140 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.282 103.8 72.4 -94.3 8.8 -14.7 -37.1 -17.4 380 183 B F <> + 0 0 36 -3,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.718 54.5 174.5-129.9 81.1 -12.1 -35.8 -14.9 381 184 B P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.825 78.7 45.7 -66.3 -38.1 -13.3 -36.5 -11.4 382 185 B L H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.870 115.6 48.1 -70.5 -38.5 -10.3 -35.3 -9.4 383 186 B L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 112.5 48.6 -66.1 -43.8 -10.0 -32.2 -11.5 384 187 B K H X S+ 0 0 79 -4,-2.7 4,-2.2 -7,-0.3 -2,-0.2 0.942 113.5 47.3 -59.6 -50.1 -13.7 -31.5 -11.0 385 188 B A H X S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.880 110.9 52.3 -56.9 -44.2 -13.4 -32.1 -7.3 386 189 B H H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.913 110.8 46.2 -60.1 -46.6 -10.4 -29.8 -7.1 387 190 B N H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.856 112.8 49.9 -71.1 -33.1 -12.1 -26.9 -8.8 388 191 B E H X S+ 0 0 103 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.932 110.5 51.5 -63.3 -47.6 -15.2 -27.4 -6.6 389 192 B F H < S+ 0 0 28 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.920 112.7 44.8 -52.9 -49.7 -12.9 -27.4 -3.5 390 193 B I H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.908 109.1 54.9 -66.3 -43.3 -11.2 -24.1 -4.6 391 194 B S H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.750 109.7 48.7 -62.1 -24.1 -14.4 -22.3 -5.6 392 195 B N T 3< S+ 0 0 97 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.321 77.6 128.2-102.3 5.2 -15.9 -23.0 -2.1 393 196 B L S X> S- 0 0 26 -3,-1.4 4,-2.6 -4,-0.2 3,-1.6 -0.447 74.3-110.4 -61.6 133.8 -12.8 -21.8 -0.1 394 197 B P T 34 S+ 0 0 121 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.693 116.5 34.7 -38.1 -38.1 -14.0 -19.2 2.6 395 198 B N T 3> S+ 0 0 88 2,-0.1 4,-0.5 1,-0.1 -168,-0.1 0.651 120.0 48.7 -94.9 -18.2 -12.3 -16.3 0.8 396 199 B I H <> S+ 0 0 0 -3,-1.6 4,-2.5 -6,-0.2 5,-0.3 0.869 98.3 65.9 -85.4 -41.3 -12.8 -17.4 -2.8 397 200 B K H X S+ 0 0 92 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.885 103.7 43.0 -53.1 -52.0 -16.6 -18.3 -2.6 398 201 B N H > S+ 0 0 111 -4,-0.4 4,-1.5 -5,-0.2 -1,-0.2 0.878 115.5 49.4 -64.8 -40.8 -17.9 -14.7 -2.0 399 202 B Y H X S+ 0 0 42 -4,-0.5 4,-0.6 1,-0.2 -2,-0.2 0.947 112.8 45.0 -64.6 -50.4 -15.5 -13.1 -4.6 400 203 B I H < S+ 0 0 27 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.844 115.4 46.8 -62.8 -40.3 -16.3 -15.6 -7.4 401 204 B T H < S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.806 119.5 39.6 -75.7 -26.5 -20.1 -15.5 -6.9 402 205 B N H < S+ 0 0 118 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.212 86.1 107.4-113.2 14.4 -20.2 -11.7 -6.6 403 206 B R S < S- 0 0 27 -4,-0.6 2,-0.1 -3,-0.4 -4,-0.0 -0.684 83.3 -93.0 -86.4 147.3 -17.8 -10.5 -9.3 404 207 B K - 0 0 167 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.361 48.3-110.0 -62.4 135.7 -19.3 -8.9 -12.4 405 208 B E S S+ 0 0 72 -2,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.155 77.3 48.9 -66.5 161.6 -19.8 -11.5 -15.2 406 209 B S + 0 0 73 -194,-0.0 2,-0.1 -193,-0.0 -2,-0.0 0.677 51.1 147.3 76.1 126.4 -17.8 -11.6 -18.5 407 210 B V 0 0 29 -195,-0.2 -196,-0.1 -39,-0.1 -2,-0.0 -0.385 360.0 360.0-145.0-131.9 -14.0 -11.4 -18.8 408 211 B Y 0 0 22 -2,-0.1 -193,-0.2 -194,-0.0 -97,-0.0 0.519 360.0 360.0 105.1 360.0 -11.4 -12.9 -21.3 409 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 410 212 A X 0 0 123 0, 0.0 -342,-1.7 0, 0.0 -343,-0.5 0.000 360.0 360.0 360.0 360.0 6.8 -25.5 -22.4 411 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 412 212 B X 0 0 115 0, 0.0 -140,-2.1 0, 0.0 -141,-0.4 0.000 360.0 360.0 360.0 360.0 1.9 -10.2 -20.5